2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid

C14H20N4O3 — CID 156890301

IUPAC2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid
SMILESCCN(C)c1nn(CC(=O)O)c(=O)c2cc(C(C)C)cn12
InChIInChI=1S/C14H20N4O3/c1-5-16(4)14-15-18(8-12(19)20)13(21)11-6-10(9(2)3)7-17(11)14/h6-7,9H,5,8H2,1-4H3,(H,19,20)
InChIKeyXEQQTUTXLAPTLZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.16
Rot. Bonds5

About 2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid

2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid (PubChem CID 156890301) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid
PubChem CID156890301
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid
SMILESCCN(C)c1nn(CC(=O)O)c(=O)c2cc(C(C)C)cn12
InChIInChI=1S/C14H20N4O3/c1-5-16(4)14-15-18(8-12(19)20)13(21)11-6-10(9(2)3)7-17(11)14/h6-7,9H,5,8H2,1-4H3,(H,19,20)
InChIKeyXEQQTUTXLAPTLZ-UHFFFAOYSA-N
XLogP1.16
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate
CID 156890074
ethyl 2-[4-(1-acetamidoethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate
CID 156890315
2-(1-oxo-7-phenyl-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
CID 156890152
N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide
CID 170000418
2-(4-butyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-hydroxy-3-methylcyclobutyl)-N-methylacetamide
CID 170000811
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
CID 6625489
methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate
CID 156890071
2-[4-(3-hydroxy-3-methylcyclobutyl)-2-oxobutyl]-4,7-di(propan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 170000309
2-[12-[methyl(propyl)amino]-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl]acetic acid
CID 168823742
tert-butyl 3-[2-(2-ethoxy-2-oxoethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-yl]azetidine-1-carboxylate
CID 156890168
2-[4-(methylamino)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 156890306
2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
CID 156890090

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid?
The IUPAC name of 2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid (CID 156890301) is 2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid is CCN(C)c1nn(CC(=O)O)c(=O)c2cc(C(C)C)cn12.
What is the InChIKey of 2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid?
The InChIKey is XEQQTUTXLAPTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-5-16(4)14-15-18(8-12(19)20)13(21)11-6-10(9(2)3)7-17(11)14/h6-7,9H,5,8H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid?
2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid is sourced from PubChem (CID 156890301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).